1-Methoxy-2-methyl-1-(trimethylsiloxy)propene (31469-15-5)

The IUPAC name of this chemical is (1-methoxy-2-methylprop-1-enoxy)-trimethylsilane. With the CAS registry number 31469-15-5, it is also named as 1-Propene, 1-methoxy-2-methyl-1-(trimethylsilyloxy)-. The product's categories are Monoalkoxysilanes; Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Si-O Compounds; Synthetic Organic Chemistry; Vinylsilanes, Allylsilanes. It is colorless liquid which is sensitive to moisture. Additionally, 1-Methoxy-2-methyl-1-(trimethylsiloxy)propene should be sealed in the container and stored at the temperature of 2-8 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 178.31; (6)ACD/BCF (pH 7.4): 178.31; (7)ACD/KOC (pH 5.5): 1422.3; (8)ACD/KOC (pH 7.4): 1422.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.418; (13)Molar Refractivity: 51.06 cm³; (14)Molar Volume: 202.2 cm³; (15)Polarizability: 20.24×10^-24 cm³; (16)Surface Tension: 20.1 dyne/cm; (17)Enthalpy of Vaporization: 35.93 kJ/mol; (18)Vapour Pressure: 8.76 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 174.107606; (21)MonoIsotopic Mass: 174.107606; (22)Topological Polar Surface Area: 18.5; (23)Heavy Atom Count: 11; (24)Complexity: 152.

Preparation of 1-Methoxy-2-methyl-1-(trimethylsiloxy)propene: It can be obtained by chloro-trimethyl-silane and isobutyric acid methyl ester. This reaction needs reagent Li-N(iPr)₂ and solvent tetrahydrofuran at temperature of -78 °C.

Uses of 1-Methoxy-2-methyl-1-(trimethylsiloxy)propene: It can react with 2-methylsulfanyl-butyraldehyde to get 2,2-Dimethyl-3-hydroxy-4-(methylthio)hexanoic acid methyl ester. This reaction needs reagent BF₃*Et₂O and solvent CH₂Cl₂ at temperature of -78 °C. The reaction time is 4.0 hours. The yield is 72 %.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O(\C(O[Si](C)(C)C)=C(/C)C)C
2. InChI:InChI=1/C8H18O2Si/c1-7(2)8(9-3)10-11(4,5)6/h1-6H3